Re: [Ifeffit] Ifeffit Digest, Vol 150, Issue 3

Hi Max, Thanks for the explaning the probable reason of smaller particle sizes determined by EXAFS. I will also try to refine my fittings. Hi Anatoly, Can you please send me the link of that recent paper again as I am unable to find it in your earlier message. Abhijeet On Mon, Aug 3, 2015 at 6:04 PM, wrote:

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Today's Topics:

1. Re: Ifeffit Digest, Vol 150, Issue 2 (Abhijeet Gaur) 2. Re: Measuring particle size by coordination number (Maxim Boyanov) 3. Re: Measuring particle size by coordination number (Anatoly I Frenkel)

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Message: 1 Date: Mon, 3 Aug 2015 13:49:40 +0200 From: Abhijeet Gaur To: ifeffit Subject: Re: [Ifeffit] Ifeffit Digest, Vol 150, Issue 2 Message-ID: < CAEq27Q1Fde2qTQyrgaAMaTJ1wUpoXydxOcS0v73MPXdAKJs_zA@mail.gmail.com> Content-Type: text/plain; charset="utf-8"

Hi Scott,

Thanks for your quick reply. So, I have to add more paths to the fitting and then try to determine the size of the particle.

Also, I want to add some analysis details to confirm that I am on the right path.

The value of amp is obtained from fitting of metal foil, i.e., 0.84 (0.03) and is kept fixed during the fitting of the sample.

S02 is defined by the formula S02 = amp*(1-(0.75*(Reff/R))+(0.063*(Reff*Reff*Reff/(R*R*R)))).

With thanks

Abhijeet

...

Message: 2 Date: Mon, 3 Aug 2015 07:11:53 -0400 From: Scott Calvin To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] Measuring particle size by coordination number Message-ID: Content-Type: text/plain; charset="utf-8"

Hi Abhijeet,

The formula looks poorly when it is only applied with one path.

The strength of this approach, and of Anatoly Frenkel?s alternative strategy for finding particle sizes, is that it compares coordination numbers for different shells, helping to break the correlations between

N,

...

S02, and sigma2.

Even then, it tends to report sizes that are small compared to those provided by other techniques, but compares sizes between different samples quite well.

?Scott Calvin Sarah Lawrence College

-- *Dr. Abhijeet Gaur* *Post doctoral fellow in the Institute for Chemical Technology and Polymer Chemistry * *Karlsruher Institut f?r Technologie (KIT), Karlsruhe Germany.*